Keyphrases
First-principles Calculations
100%
Density Functional Theory
38%
Thermodynamic Properties
35%
First-principles Study
33%
First-principles
31%
Thermodynamics
25%
Thermodynamic Modeling
25%
Elastic Properties
24%
Phase Stability
21%
Alloying Elements
20%
Finite Temperature
18%
Alloying Element Effect
16%
Bulk Modulus
14%
Temperature Effect
14%
Phonons
13%
Diffusion Coefficient
13%
Stacking Fault Energy
13%
Mechanical Properties
13%
First Principles Thermodynamics
11%
Diffusivity
11%
Elastic Constants
10%
Binary System
10%
Phonon Calculations
10%
Phase Equilibria
10%
Molecular Beam Epitaxy
10%
Lattice Parameter
9%
High Temperature
9%
Thermodynamic Description
9%
Phonon Properties
9%
Thermal Expansion
9%
Equation of State
9%
Generalized Gradient Approximation
8%
Stacking Faults
8%
Gibbs Free Energy
8%
First-principles Phonon Calculations
8%
Calculation of Phase Diagrams (CALPHAD)
8%
Phase Transition
8%
Ni-based Superalloy
8%
Ab Initio Molecular Dynamics Simulation
8%
Mg Alloy
8%
Young's Modulus
8%
Ni3Al
7%
Shear Modulus
7%
Special Quasirandom Structures
7%
Phonon Dispersion
7%
Electronic Structure
7%
Additive Manufacturing
7%
Heat Capacity
7%
Suboxide
6%
Quasiharmonic Phonons
6%
Material Science
Density
94%
Alloying
37%
Elastic Moduli
35%
Diffusivity
32%
Thermodynamics Modeling
30%
Elastic Property
29%
Thermal Expansion
23%
Lattice Vibration
17%
Lattice Constant
15%
Superalloys
14%
Oxide Compound
13%
Molecular Beam Epitaxy
12%
Anisotropy
12%
Magnesium Alloys
11%
Young's Modulus
10%
Thin Films
10%
Elastic Constant
9%
Aluminum
8%
Transition Metal
8%
Al2O3
8%
Ferroelectric Material
8%
Film
8%
X-Ray Diffraction
8%
Atomic Structure
7%
Magnesium
7%
Nitride Compound
7%
Shear Strength
7%
Grain Boundary
6%
Stacking Fault
6%
Crystal Plasticity
6%
Carrier Concentration
6%
Solid Solution
6%
Creep
5%
High Entropy Alloys
5%
Bismuth Ferrite
5%
Thermoelectric Materials
5%
Negative Thermal Expansion
5%
Electronic Property
5%
Dipole-Dipole Interaction
5%
Self-Diffusion
5%
Engineering
Alloying Element
17%
Diffusion Coefficient
15%
Bulk Modulus
12%
Good Agreement
12%
Thermodynamic Description
11%
Phase Stability
11%
Face-Centered Cubic
9%
Thin Films
8%
Ternary System
7%
Diffusivity
7%
Young's Modulus
7%
Supercell
7%
Isothermal Section
7%
Liquid Phase
6%
Sublattice Model
6%
Phonon Dispersion
6%
Heat Capacity
6%
Stacking Fault Energy
6%
Elastic Stiffness
6%
Polycrystalline
6%
Low-Temperature
5%
Elastic Constant
5%
Generalized Gradient Approximation
5%
Ray Diffraction
5%
Stable Phase
5%
Phase Region
5%
Creep Rate
5%
Pure Element
5%
